Information card for entry 7150174

Structure parameters

• Formula: C22 H26 O6
• Calculated formula: C22 H26 O6
• SMILES: [C@H]1(Cc2oc(cc2C=O)C=C(C[C@H]2OC(=O)[C@@H](C2)[C@@H](OC(=O)C)C1)C)C(=C)C
• Title of publication: Synthetic studies towards furanocembrane diterpenes. A total synthesis of bis-deoxylophotoxin.
• Authors of publication: Cases, Manuel; Gonzalez-Lopez de Turiso, Felix; Hadjisoteriou, Maria S.; Pattenden, Gerald
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 15
• Pages of publication: 2786 - 2804
• a: 6.565 ± 0.004 Å
• b: 8.698 ± 0.005 Å
• c: 34.72 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1983 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.216
• Weighted residual factors for all reflections included in the refinement: 0.222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.6861 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No